2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide

C18H28ClN3O3S — CID 8693160

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide
SMILESCCCCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClN3O3S/c1-2-3-4-5-10-20-18(23)15-21-11-13-22(14-12-21)26(24,25)17-8-6-16(19)7-9-17/h6-9H,2-5,10-15H2,1H3,(H,20,23)
InChIKeyBNKHVADSSIIEMN-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.34
Rot. Bonds9

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide (PubChem CID 8693160) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide
PubChem CID8693160
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide
SMILESCCCCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClN3O3S/c1-2-3-4-5-10-20-18(23)15-21-11-13-22(14-12-21)26(24,25)17-8-6-16(19)7-9-17/h6-9H,2-5,10-15H2,1H3,(H,20,23)
InChIKeyBNKHVADSSIIEMN-UHFFFAOYSA-N
XLogP2.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 30172353
ethyl 4-[4-[2-oxo-2-(pentylamino)ethyl]piperazin-1-yl]sulfonylbenzoate
CID 8819134
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-butylacetamide
CID 55354283
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744101
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-pentylacetamide
CID 8687826
4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]butanoic acid
CID 119352613
N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26630104
N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 9023316
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide (CID 8693160) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide is CCCCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide?
The InChIKey is BNKHVADSSIIEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-2-3-4-5-10-20-18(23)15-21-11-13-22(14-12-21)26(24,25)17-8-6-16(19)7-9-17/h6-9H,2-5,10-15H2,1H3,(H,20,23).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide has a molecular weight of 401.96 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide is sourced from PubChem (CID 8693160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).